General Information of the Compound
| Compound ID |
CP0124307
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[2-(2,6-dimethylphenoxy)ethylsulfanyl]-1H-benzimidazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H18N2OS
|
||||||||||||||||||
| Molecular Weight |
298.411
|
||||||||||||||||||
| Canonical SMILES |
Cc1cccc(C)c1OCCSc1nc2ccccc2[nH]1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H18N2OS/c1-12-6-5-7-13(2)16(12)20-10-11-21-17-18-14-8-3-4-9-15(14)19-17/h3-9H,10-11H2,1-2H3,(H,18,19)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VFDZGOPEFRPFRE-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound